Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 4/20 | 0.40 |
| ▸ | MMP9 | P14780 | 4/20 | 0.40 |
| ▸ | MMP8 | P22894 | 4/20 | 0.40 |
| ▸ | MMP13 | P45452 | 4/20 | 0.40 |
| ▸ | MMP12 | P39900 | 3/20 | 0.40 |
| ▸ | MMP14 | P50281 | 3/20 | 0.40 |
| ▸ | MMP16 | P51512 | 3/20 | 0.40 |
| ▸ | MMP1 | P03956 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | KYNU | Q16719 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11725194 | 0.85 | MYC (0.36) | SRCMMP2MMP9MMP8MMP13 | |
| SCHEMBL4691010 | 0.79 | MYC (0.39) | SRCMMP2MMP9MMP8MMP13 | |
| SCHEMBL15303318 | 0.78 | MMP2 (0.62) | SRCMMP2MMP9MMP8MMP13 | |
| SCHEMBL11721931 | 0.76 | SRC (0.47) | SRCMMP2MMP9MMP8MMP13 | |
| Benzene SCHEMBL27770108 | 0.75 | HSD11B1 (0.46) | MMP2MMP9MMP8MMP13MMP12 | |
| SCHEMBL8078709 | 0.74 | MYC (0.41) | SRCMMP2MMP9MMP8MMP13 | |
| SCHEMBL15302641 | 0.74 | MMP2 (0.41) | SRCMMP2MMP9MMP8MMP13 | |
| SCHEMBL27741676 | 0.73 | SRC (0.42) | SRCMMP2MMP9MMP8MMP13 | |
| SCHEMBL8652238 | 0.73 | CYP1A2 (0.48) | TSHRSMN1; SMN2CYP1A2CASP1 | |
| SCHEMBL5050606 | 0.72 | ACP3 (0.47) | TSHRCYP1A2CASP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4026940-A | CLEAVING TERT-BUTYL ESTER WITH STRONG ACID | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1977-05-31 | — | — | US | disclosed |
| US-3954826-A | ANTIBACTERIAL INTERMEDIATES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) | 1976-05-04 | — | — | US | disclosed |